#!/bin/bash grep graphtitle < $1.k > .grepout grep @PHASE < $1.k > .grepout # for hkl files, $2 is (0) or (1), $7 is 2theta, and #9 is intensity awk '{print $6, $7, $9}' $1.hkl > .hkl1a # strip out parenthesis around phase identifier sed 's/(//' .hkl1a > .hkl1b sed 's/)//' .hkl1b > .hkl1a # omit any peaks less with intensity < 5 awk '$3 > 10.00' .hkl1a > .hkl1b awk '$1 == 0' .hkl1a > .hklone awk '$1 == 1' .hkl1a > .hkltwo awk '{print $2, "1"}' .hklone > .hklbar # intensity of hkl isnt needed for line plot, but we will hide that dataset rm .hkl1a rm .hkl1b cat > .bfile << ! with g0 default font 4 world xmin rint(min(g0.s0.x)) world xmax rint(max(g0.s0.x)) world ymax rint(1.1*maxof((max(g0.s0.y)),(max(g0.s1.y)))) xaxis label "CuK\xa\f{} 2\xq\f{} (\So\N)" xaxis tick major 20 yaxis label "counts" view .15, .15, .65, .62 xaxis label font 4 yaxis label font 4 xaxis ticklabel font 4 yaxis ticklabel font 4 s0 symbol 1 s0 symbol size 0.2500000 s0 line type 0 s1 line linewidth 1 s2 line linewidth 1 s1 line color "red" s2 line color "navy" s1.y = s1.y + 0.1*(max(g0.s0.y)) s0.y = s0.y + 0.1*(max(g0.s0.y)) with g1 default font 4 world xmin rint(min(g0.s0.x)) world xmax rint(max(g0.s0.x)) xaxis tick off xaxis ticklabel off yaxis tick major max(s0.y) xaxis tick major 20 view .15, .63, .65, .65 world ymin 0.25 world ymax 0.50 s0 symbol size 0.000000 xaxis label font 4 yaxis label font 4 xaxis ticklabel font 4 yaxis ticklabel font 4 ! awk '{print $1, $2, $3, $5}' $1.plg > .tempplg xmgrace -pexec "arrange (2,1,.1,.1,.1,ON,ON,ON)" -nxy .tempplg -graph 1 -settype bar .hklbar -batch .bfile rm .grepout rm .hklone rm .hkltwo rm .bfile rm .tempplg rm .diff rm .hklbar